Table 8 The training/transfer learning setting parameters

From: Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

 

Initial learning rate

Loss

#Epoch

Freezing layer

Buck + Coul

104

T-Train

400

NA

Buck

104

A-Train

400

NA

DFTres Transfer

5 × 105

T-Train

400

NA

DFTres

Fine-tuning

5 × 105

T-Train

1000

1st and 4th